2-hydroxy-3-methyl-6-oxo-1H-pyridine-4-carboxylic acid

C7H7NO4 — CID 59676323

IUPAC2-hydroxy-3-methyl-6-oxo-1H-pyridine-4-carboxylic acid
SMILESCc1c(C(=O)O)cc(=O)[nH]c1O
InChIInChI=1S/C7H7NO4/c1-3-4(7(11)12)2-5(9)8-6(3)10/h2H,1H3,(H,11,12)(H2,8,9,10)
InChIKeyLVRJDEWOCLKERZ-UHFFFAOYSA-N
MW169.14 g/mol
LogP0.09
Rot. Bonds1

About 2-hydroxy-3-methyl-6-oxo-1H-pyridine-4-carboxylic acid

2-hydroxy-3-methyl-6-oxo-1H-pyridine-4-carboxylic acid (PubChem CID 59676323) has the molecular formula C7H7NO4 and a molecular weight of 169.14 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-6-oxo-1H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-3-methyl-6-oxo-1H-pyridine-4-carboxylic acid
PubChem CID59676323
Molecular FormulaC7H7NO4
Molecular Weight169.14 g/mol
Exact Mass169.04
IUPAC Name2-hydroxy-3-methyl-6-oxo-1H-pyridine-4-carboxylic acid
SMILESCc1c(C(=O)O)cc(=O)[nH]c1O
InChIInChI=1S/C7H7NO4/c1-3-4(7(11)12)2-5(9)8-6(3)10/h2H,1H3,(H,11,12)(H2,8,9,10)
InChIKeyLVRJDEWOCLKERZ-UHFFFAOYSA-N
XLogP0.09
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-6-oxo-1H-pyridine-4-carboxylic acid?
The IUPAC name of 2-hydroxy-3-methyl-6-oxo-1H-pyridine-4-carboxylic acid (CID 59676323) is 2-hydroxy-3-methyl-6-oxo-1H-pyridine-4-carboxylic acid.
What is the SMILES notation for 2-hydroxy-3-methyl-6-oxo-1H-pyridine-4-carboxylic acid?
The canonical SMILES for 2-hydroxy-3-methyl-6-oxo-1H-pyridine-4-carboxylic acid is Cc1c(C(=O)O)cc(=O)[nH]c1O.
What is the InChIKey of 2-hydroxy-3-methyl-6-oxo-1H-pyridine-4-carboxylic acid?
The InChIKey is LVRJDEWOCLKERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4/c1-3-4(7(11)12)2-5(9)8-6(3)10/h2H,1H3,(H,11,12)(H2,8,9,10).
What are the key properties of 2-hydroxy-3-methyl-6-oxo-1H-pyridine-4-carboxylic acid?
2-hydroxy-3-methyl-6-oxo-1H-pyridine-4-carboxylic acid has a molecular weight of 169.14 g/mol, XLogP of 0.09, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-6-oxo-1H-pyridine-4-carboxylic acid is sourced from PubChem (CID 59676323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).